smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(Cl)ccc(F)c1Cl ZINC000179542802 552196069 /nfs/dbraw/zinc/19/60/69/552196069.db2.gz YUOYFMXNHCLPIE-WCBMZHEXSA-N 1 0 377.203 2.949 10 5 GFBERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162787018 551612652 /nfs/dbraw/zinc/61/26/52/551612652.db2.gz TYIIMLZDBILWOH-JTQLQIEISA-N 1 0 383.392 2.622 10 5 GFBERO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000301729797 563411634 /nfs/dbraw/zinc/41/16/34/563411634.db2.gz RTQMYSKEBMUYBZ-KGLIPLIRSA-N 1 0 384.274 2.783 10 5 GFBERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176730960 655253942 /nfs/dbraw/zinc/25/39/42/655253942.db2.gz UODNISBJLGGMEO-GFCCVEGCSA-N 1 0 375.878 2.661 10 5 GFBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154655685 551480643 /nfs/dbraw/zinc/48/06/43/551480643.db2.gz ORYVMFITQQTYOA-CQSZACIVSA-N 1 0 384.274 2.843 10 5 GFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176727084 655253593 /nfs/dbraw/zinc/25/35/93/655253593.db2.gz UWJODLYDGGCJGF-QWHCGFSZSA-N 1 0 387.889 2.804 10 5 GFBERO C[NH+](C)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000006773797 204203205 /nfs/dbraw/zinc/20/32/05/204203205.db2.gz WEDGVQOOIVIUGU-UHFFFAOYSA-N 1 0 379.420 2.739 10 5 GFBERO C[C@@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253192553 553151044 /nfs/dbraw/zinc/15/10/44/553151044.db2.gz NLJAOSISXKVOLH-NXEZZACHSA-N 1 0 375.210 2.621 10 5 GFBERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000125500486 654795972 /nfs/dbraw/zinc/79/59/72/654795972.db2.gz LCEUACZKOJZHOF-LBPRGKRZSA-N 1 0 375.878 2.661 10 5 GFBERO [NH3+]CC[C@H]1CCCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000097349642 655034544 /nfs/dbraw/zinc/03/45/44/655034544.db2.gz LFCXLNAXSPWOMI-SNVBAGLBSA-N 1 0 375.210 2.765 10 5 GFBERO O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179168943 552186107 /nfs/dbraw/zinc/18/61/07/552186107.db2.gz KQIPRUHCADIJFL-JTQLQIEISA-N 1 0 388.649 2.931 10 5 GFBERO C[C@@H](Nc1ccc(I)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000097349111 655034474 /nfs/dbraw/zinc/03/44/74/655034474.db2.gz SKKLDVQUUAZUHR-NXEZZACHSA-N 1 0 375.210 2.999 10 5 GFBERO [NH3+]CCC1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000097349689 655034467 /nfs/dbraw/zinc/03/44/67/655034467.db2.gz MMKVBVQWOYCPCL-UHFFFAOYSA-N 1 0 375.210 2.765 10 5 GFBERO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000301729798 563411533 /nfs/dbraw/zinc/41/15/33/563411533.db2.gz RTQMYSKEBMUYBZ-UONOGXRCSA-N 1 0 384.274 2.783 10 5 GFBERO C[NH2+]C[C@H]1CCCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000097349024 655034454 /nfs/dbraw/zinc/03/44/54/655034454.db2.gz DNUVLYKLJFLKBU-SNVBAGLBSA-N 1 0 375.210 2.635 10 5 GFBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154655805 551480387 /nfs/dbraw/zinc/48/03/87/551480387.db2.gz ORYVMFITQQTYOA-AWEZNQCLSA-N 1 0 384.274 2.843 10 5 GFBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc(I)cc3[N+](=O)[O-])C[C@@H]21 ZINC000230134628 553064247 /nfs/dbraw/zinc/06/42/47/553064247.db2.gz ILTBFGSHNCLTNU-ADEWGFFLSA-N 1 0 387.221 2.763 10 5 GFBERO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000301729796 563411777 /nfs/dbraw/zinc/41/17/77/563411777.db2.gz RTQMYSKEBMUYBZ-KBPBESRZSA-N 1 0 384.274 2.783 10 5 GFBERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc(I)cc3[N+](=O)[O-])C[C@H]21 ZINC000228551854 553064048 /nfs/dbraw/zinc/06/40/48/553064048.db2.gz ILTBFGSHNCLTNU-MVWJERBFSA-N 1 0 387.221 2.763 10 5 GFBERO Cn1cc([C@H]2[C@H](C[NH2+]Cc3csc([N+](=O)[O-])c3)CC(=O)N2C(C)(C)C)cn1 ZINC000583622952 570802781 /nfs/dbraw/zinc/80/27/81/570802781.db2.gz LQXFRKDLKGBGCR-SUMWQHHRSA-N 1 0 391.497 2.868 10 5 GFBERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000097349658 655034481 /nfs/dbraw/zinc/03/44/81/655034481.db2.gz HLIZLTYKMVWCDF-VHSXEESVSA-N 1 0 375.210 2.763 10 5 GFBERO CC[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251582606 553147923 /nfs/dbraw/zinc/14/79/23/553147923.db2.gz CJUOMXPRJLJZKY-MWLCHTKSSA-N 1 0 375.210 2.763 10 5 GFBERO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(Cl)ccc(F)c1Cl ZINC000179542790 552196161 /nfs/dbraw/zinc/19/61/61/552196161.db2.gz YUOYFMXNHCLPIE-WPRPVWTQSA-N 1 0 377.203 2.949 10 5 GFBERO C[C@@H]([NH3+])C1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000097349486 655034583 /nfs/dbraw/zinc/03/45/83/655034583.db2.gz BYSQZXOYEORUPC-SECBINFHSA-N 1 0 375.210 2.763 10 5 GFBERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc(I)cc3[N+](=O)[O-])C[C@@H]21 ZINC000230134637 553064514 /nfs/dbraw/zinc/06/45/14/553064514.db2.gz ILTBFGSHNCLTNU-ZMLRMANQSA-N 1 0 387.221 2.763 10 5 GFBERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000125500227 654796089 /nfs/dbraw/zinc/79/60/89/654796089.db2.gz LCEUACZKOJZHOF-GFCCVEGCSA-N 1 0 375.878 2.661 10 5 GFBERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000152125617 551426387 /nfs/dbraw/zinc/42/63/87/551426387.db2.gz FYGCVUOSNLEOGY-SECBINFHSA-N 1 0 376.638 2.787 10 5 GFBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000127600073 654832720 /nfs/dbraw/zinc/83/27/20/654832720.db2.gz HJCCRFZTCQZORE-ZDUSSCGKSA-N 1 0 386.290 2.992 10 5 GFBERO C[C@H](Nc1ccc(I)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000097349109 655034593 /nfs/dbraw/zinc/03/45/93/655034593.db2.gz SKKLDVQUUAZUHR-VHSXEESVSA-N 1 0 375.210 2.999 10 5 GFBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000246187299 655429442 /nfs/dbraw/zinc/42/94/42/655429442.db2.gz UWJODLYDGGCJGF-STQMWFEESA-N 1 0 387.889 2.804 10 5 GFBERO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCN1CCN(c3ccccc3)CC1)CC2 ZINC000035570398 212160959 /nfs/dbraw/zinc/16/09/59/212160959.db2.gz YCHUTWOBJZBSGG-FQEVSTJZSA-N 1 0 380.492 2.864 10 5 GFBERO C[NH2+]C[C@@H]1CCCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000097349022 655034578 /nfs/dbraw/zinc/03/45/78/655034578.db2.gz DNUVLYKLJFLKBU-JTQLQIEISA-N 1 0 375.210 2.635 10 5 GFBERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176730975 655253830 /nfs/dbraw/zinc/25/38/30/655253830.db2.gz UODNISBJLGGMEO-LBPRGKRZSA-N 1 0 375.878 2.661 10 5 GFBERO C[NH2+]CC1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000097349332 655034565 /nfs/dbraw/zinc/03/45/65/655034565.db2.gz WBPDBAIPHLHJEK-UHFFFAOYSA-N 1 0 375.210 2.635 10 5 GFBERO O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179168870 552186235 /nfs/dbraw/zinc/18/62/35/552186235.db2.gz KQIPRUHCADIJFL-SNVBAGLBSA-N 1 0 388.649 2.931 10 5 GFBERO CC[C@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251582598 553147902 /nfs/dbraw/zinc/14/79/02/553147902.db2.gz CJUOMXPRJLJZKY-GXSJLCMTSA-N 1 0 375.210 2.763 10 5 GFBERO [NH3+]C[C@]12CCC[C@H]1CN(c1ccc(I)cc1[N+](=O)[O-])C2 ZINC000312700315 563437130 /nfs/dbraw/zinc/43/71/30/563437130.db2.gz NSDPDZUFBVDAOP-HZMBPMFUSA-N 1 0 387.221 2.765 10 5 GFBERO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000176727192 655253652 /nfs/dbraw/zinc/25/36/52/655253652.db2.gz VUUVKOHJWCMRAB-LBPRGKRZSA-N 1 0 384.845 2.606 10 5 GFBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000246187292 655429422 /nfs/dbraw/zinc/42/94/22/655429422.db2.gz UWJODLYDGGCJGF-OLZOCXBDSA-N 1 0 387.889 2.804 10 5 GFBERO CO[C@H]1C[C@@H]2C[C@H](OC(=O)C(O)(c3ccccc3)c3ccccc3)C[C@H]1[N+]2(C)C ZINC000004217609 717097630 /nfs/dbraw/zinc/09/76/30/717097630.db2.gz UOGRTPHUCQXAJU-KJJMTIBFSA-N 1 0 396.507 2.860 10 5 in-man GFBERO C[C@@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000164000542 551623545 /nfs/dbraw/zinc/62/35/45/551623545.db2.gz NLJAOSISXKVOLH-ZJUUUORDSA-N 1 0 375.210 2.621 10 5 GFBERO CC(C)COC[C@@H](O)C[NH2+][C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000036160441 205007783 /nfs/dbraw/zinc/00/77/83/205007783.db2.gz ZRPNOUFPEMMIME-IRXDYDNUSA-N 1 0 392.456 2.965 10 5 GFBERO C[C@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000302227915 563423886 /nfs/dbraw/zinc/42/38/86/563423886.db2.gz VBSZVPOVNQAWBI-UWVGGRQHSA-N 1 0 375.210 2.728 10 5 GFBERO C[N@H+](CCO)C1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000897394251 663604022 /nfs/dbraw/zinc/60/40/22/663604022.db2.gz ILJDPAUXYRCWFW-UHFFFAOYSA-N 1 0 394.230 2.569 10 5 GFBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc(I)cc3[N+](=O)[O-])C[C@H]21 ZINC000228551849 553063888 /nfs/dbraw/zinc/06/38/88/553063888.db2.gz ILTBFGSHNCLTNU-YUSALJHKSA-N 1 0 387.221 2.763 10 5 GFBERO C[C@H]([NH3+])[C@H]1CCCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000097349661 655034576 /nfs/dbraw/zinc/03/45/76/655034576.db2.gz HLIZLTYKMVWCDF-UWVGGRQHSA-N 1 0 375.210 2.763 10 5 GFBERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000152125691 551426301 /nfs/dbraw/zinc/42/63/01/551426301.db2.gz FYGCVUOSNLEOGY-VIFPVBQESA-N 1 0 376.638 2.787 10 5 GFBERO O=[N+]([O-])c1cc(I)ccc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000557317802 564860521 /nfs/dbraw/zinc/86/05/21/564860521.db2.gz IBXIUPIOVPIUBW-CQSZACIVSA-N 1 0 387.221 2.779 10 5 GFBERO C[C@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000164000662 551623290 /nfs/dbraw/zinc/62/32/90/551623290.db2.gz NLJAOSISXKVOLH-UWVGGRQHSA-N 1 0 375.210 2.621 10 5 GFBERO C[C@H](Nc1ccc(I)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000097349113 655034612 /nfs/dbraw/zinc/03/46/12/655034612.db2.gz SKKLDVQUUAZUHR-UWVGGRQHSA-N 1 0 375.210 2.999 10 5 GFBERO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000176727175 655253712 /nfs/dbraw/zinc/25/37/12/655253712.db2.gz VUUVKOHJWCMRAB-GFCCVEGCSA-N 1 0 384.845 2.606 10 5 GFBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000124357180 654775186 /nfs/dbraw/zinc/77/51/86/654775186.db2.gz ZZMVJRQIBZERPD-QWHCGFSZSA-N 1 0 387.889 2.804 10 5 GFBERO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000301729799 563412024 /nfs/dbraw/zinc/41/20/24/563412024.db2.gz RTQMYSKEBMUYBZ-ZIAGYGMSSA-N 1 0 384.274 2.783 10 5 GFBERO CC[C@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000123014520 654750278 /nfs/dbraw/zinc/75/02/78/654750278.db2.gz CJUOMXPRJLJZKY-ONGXEEELSA-N 1 0 375.210 2.763 10 5 GFBERO CC(C)COC[C@H](O)C[NH2+][C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000036160439 570555726 /nfs/dbraw/zinc/55/57/26/570555726.db2.gz ZRPNOUFPEMMIME-SJORKVTESA-N 1 0 392.456 2.965 10 5 GFBERO CC(C)COC[C@@H](O)C[NH2+][C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000036160435 570555971 /nfs/dbraw/zinc/55/59/71/570555971.db2.gz ZRPNOUFPEMMIME-DLBZAZTESA-N 1 0 392.456 2.965 10 5 GFBERO CCOCC[N@@H+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1CC ZINC000130589213 551366788 /nfs/dbraw/zinc/36/67/88/551366788.db2.gz VGPHLAHDDYKERZ-CYBMUJFWSA-N 1 0 387.278 2.689 10 5 GFBERO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000097349663 655034537 /nfs/dbraw/zinc/03/45/37/655034537.db2.gz HLIZLTYKMVWCDF-ZJUUUORDSA-N 1 0 375.210 2.763 10 5 GFBERO C[N+]1(CCN(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000006068268 717104676 /nfs/dbraw/zinc/10/46/76/717104676.db2.gz KBCNXWZXIFPCBG-UHFFFAOYSA-N 1 0 384.456 2.714 10 5 GFBERO COc1ccc2c(c1OC)C[N+](C)(C)CCc1cc3c(cc1C(=O)C2)OCO3 ZINC000002559159 209369797 /nfs/dbraw/zinc/36/97/97/209369797.db2.gz YFIYMWZJIMVBLQ-UHFFFAOYSA-N 1 0 384.452 2.990 10 5 GFBERO O=[N+]([O-])c1cc(I)ccc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000557317796 564860312 /nfs/dbraw/zinc/86/03/12/564860312.db2.gz IBXIUPIOVPIUBW-AWEZNQCLSA-N 1 0 387.221 2.779 10 5 GFBERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000097349660 655034492 /nfs/dbraw/zinc/03/44/92/655034492.db2.gz HLIZLTYKMVWCDF-NXEZZACHSA-N 1 0 375.210 2.763 10 5 GFBERO C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000302227914 563423817 /nfs/dbraw/zinc/42/38/17/563423817.db2.gz VBSZVPOVNQAWBI-NXEZZACHSA-N 1 0 375.210 2.728 10 5 GFBERO [NH3+]CC[C@@H]1CCCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000097349644 655034622 /nfs/dbraw/zinc/03/46/22/655034622.db2.gz LFCXLNAXSPWOMI-JTQLQIEISA-N 1 0 375.210 2.765 10 5 GFBERO CCOCC[N@@H+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1CC ZINC000130589450 551366671 /nfs/dbraw/zinc/36/66/71/551366671.db2.gz VGPHLAHDDYKERZ-ZDUSSCGKSA-N 1 0 387.278 2.689 10 5 GFBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000261642182 553155197 /nfs/dbraw/zinc/15/51/97/553155197.db2.gz LFAAEHHNXAUHFT-BTOWRCTQSA-N 1 0 382.258 2.993 10 5 GFBERO C[C@H]([NH3+])C1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000097349484 655034524 /nfs/dbraw/zinc/03/45/24/655034524.db2.gz BYSQZXOYEORUPC-VIFPVBQESA-N 1 0 375.210 2.763 10 5 GFBERO CC[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000123014337 654750257 /nfs/dbraw/zinc/75/02/57/654750257.db2.gz CJUOMXPRJLJZKY-KOLCDFICSA-N 1 0 375.210 2.763 10 5 GFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176727069 655253554 /nfs/dbraw/zinc/25/35/54/655253554.db2.gz UWJODLYDGGCJGF-CHWSQXEVSA-N 1 0 387.889 2.804 10 5 GFBERO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(Cl)ccc(F)c1Cl ZINC000179542796 552196243 /nfs/dbraw/zinc/19/62/43/552196243.db2.gz YUOYFMXNHCLPIE-SCZZXKLOSA-N 1 0 377.203 2.949 10 5 GFBERO CC(C)COC[C@H](O)C[NH2+][C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000036160431 570555823 /nfs/dbraw/zinc/55/58/23/570555823.db2.gz ZRPNOUFPEMMIME-IAGOWNOFSA-N 1 0 392.456 2.965 10 5 GFBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000127600300 654832730 /nfs/dbraw/zinc/83/27/30/654832730.db2.gz HJCCRFZTCQZORE-CYBMUJFWSA-N 1 0 386.290 2.992 10 5 GFBERO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(Cl)ccc(F)c1Cl ZINC000179542809 552196262 /nfs/dbraw/zinc/19/62/62/552196262.db2.gz YUOYFMXNHCLPIE-PSASIEDQSA-N 1 0 377.203 2.949 10 5 GFBERO C[C@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253192554 553150997 /nfs/dbraw/zinc/15/09/97/553150997.db2.gz NLJAOSISXKVOLH-VHSXEESVSA-N 1 0 375.210 2.621 10 5 GFBERO C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000311569434 563436294 /nfs/dbraw/zinc/43/62/94/563436294.db2.gz ZUILSWPLQSQCHO-NOZJJQNGSA-N 1 0 375.210 2.621 10 5 GFBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000124356967 654775148 /nfs/dbraw/zinc/77/51/48/654775148.db2.gz ZZMVJRQIBZERPD-CHWSQXEVSA-N 1 0 387.889 2.804 10 5 GFBERO C[C@@H](Nc1ccc(I)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000097349115 655034531 /nfs/dbraw/zinc/03/45/31/655034531.db2.gz SKKLDVQUUAZUHR-ZJUUUORDSA-N 1 0 375.210 2.999 10 5 GFBERO